Morphology and Stability of the Diamond/BN (001) and (111) Interfaces Based on Ab Initio Studies

• Authors: M. Sznajder , N. Hrushka , J. Majewski
• Languages of publication: EN

Abstracts

EN

The morphology, charge distribution and energetic stability of interfaces in the diamond/c-BN heteropolar junctions grown along [001] and [111] crystallographic directions are obtained from first principles calculations in the framework of density functional theory. It turns out that there exist reconstructions of the abrupt interfaces of the C and N adjacent layers (C-N type) that induce charge compensation and lead to the stabilization of the interfaces. On the contrary, our studies strongly suggest that analogous reconstructions of the abrupt interfaces of C and B adjacent layers (C-B type) are not energetically favorable and do not stabilize abrupt interfaces.

Keywords

EN

68.35.-p; 68.35.Ct; 68.65.Cd

Discipline

• 68.35.Ct: Interface structure and roughness
• 68.65.Cd: Superlattices
• 68.35.-p: Solid surfaces and solid-solid interfaces: structure and energetics

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2016
• Volume: 130
• Issue: 5
• Pages: 1220-1223

Dates

published

2016-11

Contributors

author

M. Sznajder

• Faculty of Mathematics and Natural Sciences, University of Rzeszów, S. Pigonia 1, 35-959 Rzeszów, Poland

author

N. Hrushka

• Faculty of Mathematics and Natural Sciences, University of Rzeszów, S. Pigonia 1, 35-959 Rzeszów, Poland

author

J. Majewski

• Faculty of Physics, University of Warsaw, L. Pasteura 5, 02-093 Warszawa, Poland

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Identifiers

DOI

10.12693/APhysPolA.130.1220